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Title: Materials Data on NdZrO14 by Materials Project

Abstract

NdO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one NdO2 framework and one ZrO12 framework. In the NdO2 framework, Nd is bonded to four equivalent O atoms to form corner-sharing NdO4 tetrahedra. All Nd–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Nd atoms. In the ZrO12 framework, Zr is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.40 Å. O is bonded in a 4-coordinate geometry to one Zr and two equivalent O atoms. Both O–O bond lengths are 1.69 Å.

Publication Date:
Other Number(s):
mp-1210676
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdZrO14; Nd-O-Zr
OSTI Identifier:
1723145
DOI:
https://doi.org/10.17188/1723145

Citation Formats

The Materials Project. Materials Data on NdZrO14 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1723145.
The Materials Project. Materials Data on NdZrO14 by Materials Project. United States. doi:https://doi.org/10.17188/1723145
The Materials Project. 2019. "Materials Data on NdZrO14 by Materials Project". United States. doi:https://doi.org/10.17188/1723145. https://www.osti.gov/servlets/purl/1723145. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1723145,
title = {Materials Data on NdZrO14 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one NdO2 framework and one ZrO12 framework. In the NdO2 framework, Nd is bonded to four equivalent O atoms to form corner-sharing NdO4 tetrahedra. All Nd–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Nd atoms. In the ZrO12 framework, Zr is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.40 Å. O is bonded in a 4-coordinate geometry to one Zr and two equivalent O atoms. Both O–O bond lengths are 1.69 Å.},
doi = {10.17188/1723145},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}